SCHEMBL21538336

SCHEMBL21538336

COc1cc2c3c(ccc4c5ccc6c7c(cc(OC)c(c1c34)c75)C(=O)NC6O)C(=O)N(C)C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.44
▸ KMT2A Q03164 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ SMARCA2 P51531 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ HPGD P15428 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ USP2 O75604 2/20 0.33
▸ KEAP1 Q14145 2/20 0.33
▸ NFE2L2 Q16236 2/20 0.33
▸ ATM Q13315 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21892022 0.88 PRMT1 (0.34) PRMT1KMT2AALDH1A1KDM4EPOLB
SCHEMBL19101539 0.83 PRMT1 (0.56) PRMT1KMT2AALDH1A1KDM4EMAPT
SCHEMBL19101428 0.81 PRMT1 (0.49) PRMT1KMT2AALDH1A1KDM4EMAPT
SCHEMBL18475611 0.72 ESR1 (0.44) KMT2AALDH1A1KDM4EMAPTPOLB
SCHEMBL19243128 0.70 PARP1 (0.39) KMT2AMAPTPOLBMEN1USP2
SCHEMBL18116645 0.70 PARP1 (0.39) KMT2AMAPTPOLBMEN1USP2
SCHEMBL19427159 0.70 PARP1 (0.39) KMT2AMAPTPOLBMEN1USP2
SCHEMBL22902140 0.69 PRMT1 (0.42) PRMT1KMT2AALDH1A1KDM4EMAPT
SCHEMBL24862200 0.68 TERT (0.38) PRMT1KMT2AALDH1A1KDM4EPOLB
SCHEMBL20132525 0.68 KDM4E (0.49) KMT2AALDH1A1KDM4EMAPTPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10465114-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2019-11-05 — — US disclosed
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